2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide

C17H23N5OS — CID 171704511

IUPAC2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(N2CC(N(C)CC(=O)NCc3cccs3)C2)nc(C)n1
InChIInChI=1S/C17H23N5OS/c1-12-7-16(20-13(2)19-12)22-9-14(10-22)21(3)11-17(23)18-8-15-5-4-6-24-15/h4-7,14H,8-11H2,1-3H3,(H,18,23)
InChIKeyWTXSTXOPQLKWHF-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.59
Rot. Bonds6

About 2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 171704511) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID171704511
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(N2CC(N(C)CC(=O)NCc3cccs3)C2)nc(C)n1
InChIInChI=1S/C17H23N5OS/c1-12-7-16(20-13(2)19-12)22-9-14(10-22)21(3)11-17(23)18-8-15-5-4-6-24-15/h4-7,14H,8-11H2,1-3H3,(H,18,23)
InChIKeyWTXSTXOPQLKWHF-UHFFFAOYSA-N
XLogP1.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 171998689
2-[[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide;formic acid
CID 154914261
N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47294418
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 60693909
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
N-ethyl-2-(4-oxoquinazolin-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 9287080
1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909479
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 86868228
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 171704511) is 2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide is Cc1cc(N2CC(N(C)CC(=O)NCc3cccs3)C2)nc(C)n1.
What is the InChIKey of 2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WTXSTXOPQLKWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-7-16(20-13(2)19-12)22-9-14(10-22)21(3)11-17(23)18-8-15-5-4-6-24-15/h4-7,14H,8-11H2,1-3H3,(H,18,23).
What are the key properties of 2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 171704511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).